SCHEMBL431373

SCHEMBL431373

NC1(Cc2[nH]c3c(c2C(=O)O)CCc2cnc(-c4ccc(N5CCOCC5)cc4)cc2-3)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 10/20 0.43
XDH P47989 1/20 0.37
JAK2 O60674 3/20 0.36
HDAC1 Q13547 2/20 0.35
KDM1A O60341 1/20 0.35
ATR Q13535 1/20 0.35
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL426539 0.92 ATR (0.40) MAPKAPK2HDAC1KDM1AATR
SCHEMBL429079 0.92 MAPKAPK2 (0.41) MAPKAPK2JAK2ATRMAPT
SCHEMBL430290 0.92 MAPKAPK2 (0.37) MAPKAPK2HDAC1
SCHEMBL426031 0.92 CHEK1 (0.40) MAPKAPK2HDAC1KDM1A
SCHEMBL429123 0.87 MAPKAPK2 (0.46) MAPKAPK2KDM4EALDH1A1
SCHEMBL428236 0.87 MAPKAPK2 (0.60) MAPKAPK2JAK2HDAC1KDM1APRKAB2
SCHEMBL428902 0.84 MAPKAPK2 (0.41) MAPKAPK2JAK2JAK1JAK3
SCHEMBL429140 0.84 MAPKAPK2 (0.59) MAPKAPK2JAK2HDAC1KDM1APRKAB2
SCHEMBL431601 0.83 CNR2 (0.37) MAPKAPK2JAK1JAK3
SCHEMBL429964 0.83 MAPKAPK2 (0.42) MAPKAPK2KDM4EALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885XDH 781/4885JAK2 333/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885XDH 781/4885JAK2 333/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.